SCHEMBL7789569

SCHEMBL7789569

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.43
CTSL P07711 5/20 0.39
PIN1 Q13526 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACE P12821 2/20 0.38
HPGD P15428 1/20 0.38
CTSB P07858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8167549 1.00 CTRB1 (0.43) CTRB1CTSLPIN1CTSSCTSK
SCHEMBL7799098 0.92 RXFP1 (0.40) CTRB1NPC1RAB9AHPGD
SCHEMBL7800273 0.90 SMN1; SMN2 (0.46) NPC1RAB9A
SCHEMBL7789564 0.89 NPC1 (0.53) NPC1RAB9A
SCHEMBL7799091 0.87 NPC1 (0.40) CTRB1NPC1RAB9A
SCHEMBL8178600 0.87 CTRB1 (0.42) CTRB1CTSSCTSKNPC1RAB9A
SCHEMBL7789521 0.87 CTRB1 (0.42) CTRB1CTSSCTSKNPC1RAB9A
SCHEMBL7797836 0.85 NPC1 (0.38) NPC1RAB9A
SCHEMBL7797833 0.85 ANPEP (0.45) HPGD
SCHEMBL7789519 0.85 NPC1 (0.41) CTRB1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP claimed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US claimed
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed